Materials Data on Ba2YbBiO6 by Materials Project

doi:10.17188/1266998

Title: Materials Data on Ba2YbBiO6 by Materials Project

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Abstract

Ba2YbBiO6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form distorted BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with four equivalent YbO6 octahedra, and faces with four equivalent BiO6 octahedra. There are a spread of Ba–O bond distances ranging from 2.89–3.30 Å. Yb3+ is bonded to six equivalent O2- atoms to form YbO6 octahedra that share corners with six equivalent BiO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 11°. All Yb–O bond lengths are 2.26 Å. Bi5+ is bonded to six equivalent O2- atoms to form BiO6 octahedra that share corners with six equivalent YbO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 11°. All Bi–O bond lengths are 2.12 Å. O2- is bonded in a 2-coordinate geometry to four equivalent Ba2+, one Yb3+, and one Bi5+ atom.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-545436

DOE Contract Number:: AC02-05CH11231; EDCBEE

Research Org.:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Collaborations:: MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE

Keywords:: crystal structure; Ba2YbBiO6; Ba-Bi-O-Yb

OSTI Identifier:: 1266998

DOI:: https://doi.org/10.17188/1266998

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                    The Materials Project. Materials Data on Ba2YbBiO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1266998.

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                    The Materials Project. Materials Data on Ba2YbBiO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1266998

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                    The Materials Project. 2020.  
"Materials Data on Ba2YbBiO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1266998.  https://www.osti.gov/servlets/purl/1266998. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1266998,

  title        = {Materials Data on Ba2YbBiO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ba2YbBiO6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form distorted BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with four equivalent YbO6 octahedra, and faces with four equivalent BiO6 octahedra. There are a spread of Ba–O bond distances ranging from 2.89–3.30 Å. Yb3+ is bonded to six equivalent O2- atoms to form YbO6 octahedra that share corners with six equivalent BiO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 11°. All Yb–O bond lengths are 2.26 Å. Bi5+ is bonded to six equivalent O2- atoms to form BiO6 octahedra that share corners with six equivalent YbO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 11°. All Bi–O bond lengths are 2.12 Å. O2- is bonded in a 2-coordinate geometry to four equivalent Ba2+, one Yb3+, and one Bi5+ atom.},

  doi          = {10.17188/1266998},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1266998

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